N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

C27H28ClNO6 — CID 22511241

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCC(C)CC2)O4)cc1Cl
InChIInChI=1S/C27H28ClNO6/c1-14-7-9-27(10-8-14)13-18(30)24-20(35-27)6-5-19-23(24)15(2)25(34-19)26(31)29-17-11-16(28)21(32-3)12-22(17)33-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,29,31)
InChIKeyPZBXFSZOXSVSPT-UHFFFAOYSA-N
MW497.98 g/mol
LogP6.58
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 22511241) has the molecular formula C27H28ClNO6 and a molecular weight of 497.98 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID22511241
Molecular FormulaC27H28ClNO6
Molecular Weight497.98 g/mol
Exact Mass497.16
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCC(C)CC2)O4)cc1Cl
InChIInChI=1S/C27H28ClNO6/c1-14-7-9-27(10-8-14)13-18(30)24-20(35-27)6-5-19-23(24)15(2)25(34-19)26(31)29-17-11-16(28)21(32-3)12-22(17)33-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,29,31)
InChIKeyPZBXFSZOXSVSPT-UHFFFAOYSA-N
XLogP6.58
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511390
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 22553080
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793314
1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
CID 22511267
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 22511241) is N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is COc1cc(OC)c(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCC(C)CC2)O4)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is PZBXFSZOXSVSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClNO6/c1-14-7-9-27(10-8-14)13-18(30)24-20(35-27)6-5-19-23(24)15(2)25(34-19)26(31)29-17-11-16(28)21(32-3)12-22(17)33-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,29,31).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 22511241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).